Preferred Name

Doxorubicin hydrochloride

Synonyms

Doxorubicin hydrochloride

ID

http://purl.obolibrary.org/obo/CHEBI_31522

charge

0

database_cross_reference

CAS:25316-40-9

KEGG:D01275

formula

C27H29NO11.HCl

C27H30ClNO11

has_exact_synonym

Doxorubicin hydrochloride

has_obo_namespace

chebi_ontology

id

CHEBI:31522

in_subset

http://purl.obolibrary.org/obo/chebi#2_STAR

inchi

InChI=1S/C27H29NO11.ClH/c1-10-22(31)13(28)6-17(38-10)39-15-8-27(36,16(30)9-29)7-12-19(15)26(35)21-20(24(12)33)23(32)11-4-3-5-14(37-2)18(11)25(21)34;/h3-5,10,13,15,17,22,29,31,33,35-36H,6-9,28H2,1-2H3;1H/t10-,13-,15-,17-,22+,27-;/m0./s1

inchikey

MWWSFMDVAYGXBV-RUELKSSGSA-N

label

Doxorubicin hydrochloride

mass

579.981

monoisotopicmass

579.15074

notation

CHEBI:31522

prefLabel

Doxorubicin hydrochloride

smiles

C1=CC(=C2C(=C1)C(C=3C(C2=O)=C(C4=C(C3O)C[C@](C[C@@H]4O[C@H]5C[C@@H]([C@@H]([C@@H](O5)C)O)N)(C(CO)=O)O)O)=O)OC.Cl

treeView

http://purl.obolibrary.org/obo/CHEBI_48120

subClassOf

http://purl.obolibrary.org/obo/CHEBI_48120

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